SCHEMBL3114993

SCHEMBL3114993

Cc1cc[c]c(C(N)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
IKBKB O14920 1/20 0.40
LIMK1 P53667 1/20 0.40
POLB P06746 1/20 0.35
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
NNMT P40261 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM5 P41594 1/20 0.32
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3200384 0.79 KDM4E (0.36) PARP1IKBKBLIMK1KMT2AMEN1
SCHEMBL3002690 0.79 PIM1 (0.39) PARP1POLBKMT2ANNMTTDP1
SCHEMBL5649760 0.78 PIM1 (0.31) PARP1KDM4EALDH1A1
SCHEMBL2800956 0.78 GABRP (0.37) PARP1IKBKBLIMK1NNMT
SCHEMBL6526686 0.77 PARP1 (0.31) PARP1
SCHEMBL2825804 0.76 PARP1 (0.31) PARP1
SCHEMBL3376017 0.76
SCHEMBL3635703 0.76 PARP1 (0.31) PARP1NNMT
SCHEMBL2931588 0.76 LMNA (0.36) PARP1IKBKBPOLBNNMTALDH1A1
SCHEMBL2792337 0.76 NCF1 (0.32) PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US claimed
CN-102238950-A Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use CHDI INC (US) 2011-11-09 CN claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
WO-2010017179-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-02-11 WO claimed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
JP-2008543917-A 2008-12-04 JP claimed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO claimed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO claimed
US-20060293319-A1 Oxindole derivatives LUK KIM-CHUN 2006-12-28 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP1 4568/4885IKBKB 1520/4885LIMK1 4535/4885
US-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG PARP1 3673/4885IKBKB 75/4885LIMK1 3582/4885
US-20060293319-A1 Oxindole derivatives CCNI, OGFR, MKI67 PARP1 2143/4885IKBKB 1483/4885LIMK1 1582/4885
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 PARP1 1827/4885IKBKB 162/4885LIMK1 239/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP1 4568/4885IKBKB 1520/4885LIMK1 4535/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA PARP1 1089/4885IKBKB 404/4885LIMK1 3250/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PARP1 3673/4885IKBKB 75/4885LIMK1 3582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.